[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (3-Fluoro-3-Hydroxy-1,2,3Λ5-Dioxaphosphiran-3-Yl) Hydrogen Phosphate; Difluoroberyllium

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Formula C10H16BeF3N5O10P2
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (3-fluoro-3-hydroxy-1,2,3λ5-dioxaphosphiran-3-yl) hydrogen phosphate; difluoroberyllium
Molecular Mass 494.216 g·mol−1
Heat of Formation -3225.8 ± 16.7 kJ·mol−1
Dipole Moment 6.71 ± 1.08 D
Volume 452.17 Å 3
Surface Area 381.58 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -1.72 ± eV
Point Group Symmetry C1
InChIKey KPSBRNMHHMEBIN-KWIZKVQNSA-K
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